N-[3-(2-azanyl-1,3-thiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[3-(2-azanyl-1,3-thiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[3-(2-aminothiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[3-(2-amino-4-thiazolyl)-2,5-dimethyl-1-pyrrolyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethylpyrrol-1-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[3-(2-aminothiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]-4-keto-3H-phthalazine-1-carboxamide Formula: C18H16N6O2S MolecularWeight: 380.42364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=NNC(=O)C3=CC=CC=C32)C)C4=CSC(=N4)N

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=NNC(=O)C3=CC=CC=C32)C)C4=CSC(=N4)N

InChI

InChI=1S/C18H16N6O2S/c1-9-7-13(14-8-27-18(19)20-14)10(2)24(9)23-17(26)15-11-5-3-4-6-12(11)16(25)22-21-15/h3-8H,1-2H3,(H2,19,20)(H,22,25)(H,23,26)